NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 E 4.3175 8.4444 121.4523 55.9894 30.7270 174.3082 33 V 4.0590 7.7845 126.9921 59.9691 33.8604 172.5126 34 L 4.7244 9.3543 131.7833 54.6890 42.6885 175.3960 35 L 4.6039 9.4276 126.4830 56.1222 43.4436 177.1472 36 L 4.6692 7.7812 120.3700 53.6470 45.7850 174.1620 37 D 5.2342 8.8530 125.4530 52.4944 43.6051 176.0220 38 S 4.4152 8.9992 120.6339 59.7562 63.3943 174.9465 39 K 4.3273 8.1057 119.6537 56.3781 32.0040 177.4480 40 A 3.8400 7.6003 125.4128 55.3396 18.6788 178.7782 *46 E 4.3589 7.7516 118.4063 56.3855 31.1973 176.5312 47 W 5.0624 9.1097 127.7948 54.6621 31.5671 176.6391 48 I 4.3105 8.4117 124.4939 60.0398 36.6093 171.7891 49 S 5.1593 8.7330 120.6372 55.8942 64.9746 173.1544 50 S 4.6096 9.3773 121.7861 56.2521 65.3458 171.8261 51 P 4.8490 0.0000 0.0000 61.2552 31.9578 175.7995 52 P 4.4529 0.0000 0.0000 65.4022 31.2622 177.4389 53 N 4.6277 8.1953 115.9122 55.4717 40.5221 176.0803 54 G 3.7008 8.3825 107.0290 45.5688 0.0000 176.3019 55 W 4.3970 9.6773 119.6933 56.9722 30.1475 175.4396 56 E 4.8338 9.3097 125.9707 54.1536 32.3260 174.4114 57 E 3.9674 8.9280 127.7543 55.8169 30.3824 175.4247 58 I 4.4764 8.4135 128.6974 59.6023 39.8516 175.3398 59 S 5.1142 8.4172 122.1777 57.3780 66.3534 173.5446 60 G 4.1329 8.0979 106.5063 46.1625 0.0000 171.8411 61 L 5.2832 8.3436 119.0099 52.7782 45.4782 177.0237 62 D 4.6696 8.4391 123.0545 52.4188 41.3983 176.4501 63 E 3.7384 8.5708 115.7087 59.2547 29.6520 177.0945 64 N 4.5506 8.0564 114.4430 52.7182 38.9051 174.5692 65 Y 3.6532 7.1839 114.1891 59.0310 36.1738 169.3722 66 T 4.2534 8.3925 118.2571 62.1997 69.2074 172.5514 67 P 4.8384 0.0000 0.0000 63.0696 32.1436 175.6320 68 I 4.3204 8.7960 125.8752 59.9038 39.2392 174.9395 69 R 4.4866 8.5627 125.7656 54.7182 32.0020 175.0419 70 T 4.8347 8.4222 114.7105 59.9355 72.2004 172.8517 71 Y 5.1809 8.8152 120.7885 56.5518 40.8332 174.8163 72 Q 5.2693 9.3868 123.1729 54.2084 33.3673 174.9753 73 V 4.4256 8.0767 121.0293 59.9314 34.8920 174.5137 74 C 5.0477 7.8942 124.3506 55.2869 42.5744 175.0042 75 Q 4.2500 7.5456 121.3361 55.1156 27.5205 177.8251 76 V 3.6773 7.3323 109.4308 62.7246 32.6736 177.5925 77 M 4.2566 8.0062 120.6034 56.1200 32.6926 176.2793 78 E 4.6773 7.3646 115.1050 52.9842 32.1270 179.7403 79 P 4.5320 0.0000 0.0000 62.1718 32.6334 174.9619 80 N 4.1978 8.4889 112.5347 54.5136 35.6091 175.0312 81 Q 4.1982 7.7642 116.7712 55.7714 30.4132 176.8468 82 N 5.5502 8.4513 121.3217 52.3245 38.7271 171.5634 83 N 5.1551 9.3805 119.2451 51.2086 41.2070 174.3588 84 W 5.0210 9.4936 124.1715 54.7622 32.4835 174.7263 85 L 5.1336 8.6008 125.4813 53.2197 44.8131 175.0878 86 R 5.0364 8.7576 123.2272 54.3075 32.3555 175.9535 87 T 3.1012 8.1164 113.1073 60.5879 70.1906 173.5410 88 N 4.8566 7.9267 118.8529 52.4677 38.9783 173.2769 89 W 3.8742 8.7526 129.0148 56.7112 31.7713 176.0398 90 I 4.0823 6.8055 128.3294 59.0157 38.6176 175.5909 91 S 3.8094 7.8772 122.2440 57.7730 63.7680 174.4833 92 K 4.2198 8.7142 120.3331 56.8642 34.4868 178.6064 93 G 4.0263 7.8001 107.6227 47.0192 0.0000 174.4894 94 N 4.8741 8.7909 117.1491 52.1881 39.1372 173.8812 95 A 3.6903 6.9008 118.8553 50.9131 20.1608 176.3509 96 Q 4.1543 7.5323 117.1068 57.0110 30.7924 175.7320 97 R 4.1866 7.8000 120.1756 56.3491 31.8626 176.2191 98 I 4.4740 8.1840 123.4022 59.4463 40.7265 174.4086 99 F 5.0216 8.9196 125.4587 55.6562 41.6585 174.9630 100 V 4.7391 8.8167 122.5549 61.1950 34.3879 173.5856 101 E 5.1296 9.8846 130.1483 54.6776 31.6526 174.2426 102 L 5.4244 9.3495 127.6323 53.0450 44.6050 175.4482 103 K 5.7269 9.3575 123.5216 53.9424 34.8170 175.3357 104 F 5.5474 8.2763 118.2918 56.1897 41.4866 172.7664 105 T 4.8882 8.8892 110.0168 60.0971 71.6242 173.5072 106 L 5.0990 8.3150 125.2613 53.7631 44.5686 175.2991 107 R 4.2184 8.6428 128.2339 55.8436 31.0476 176.1562 108 D 4.6824 8.7912 125.9435 54.6399 41.6551 178.3519 109 C 4.4089 9.4551 121.5452 60.0301 40.4890 176.0107 110 N 4.1913 8.2255 116.3721 55.9579 38.2209 175.4617 111 S 4.6663 7.6807 111.0005 57.8414 63.1925 173.6376 112 L 4.6905 7.6102 120.3864 52.7194 44.3959 174.5381 113 P 4.2947 0.0000 0.0000 63.3758 32.2147 176.2771 114 G 3.6784 8.7654 110.0683 46.4454 0.0000 172.9475 *117 G 3.9362 8.3042 114.0140 45.0422 0.0000 173.9520 118 T 4.4557 7.4889 110.4577 59.9457 68.6856 175.4157 119 C 4.6858 7.8762 120.7255 56.3554 44.4643 172.5434 120 K 4.7089 8.7070 126.6898 55.2707 33.7496 176.4048 121 E 4.8810 8.6481 117.9815 56.0710 30.6518 175.7375 122 T 5.1303 7.8296 107.8069 60.0663 72.3231 172.3928 123 F 5.1831 8.5918 116.8720 55.4141 42.3676 172.7887 124 N 5.0686 9.2979 116.2201 51.3138 41.4919 173.6492 125 L 5.0001 8.3629 125.3863 53.8393 44.0078 174.8358 126 Y 5.4543 9.2261 123.8005 56.5092 42.0720 174.1287 127 Y 5.6730 9.2276 118.1035 56.0507 42.3582 173.6503 128 Y 4.5998 9.2909 121.9936 56.0066 42.0100 173.5872 129 E 4.8561 8.1988 125.4187 56.1328 30.6778 175.5777 130 T 4.4539 8.6999 115.8793 61.1099 71.4109 173.1386 131 D 4.8008 8.6246 125.2950 54.8709 40.8720 175.7470 *133 D 4.2787 7.8189 118.2011 54.2350 43.5226 172.2619 134 T 4.1585 9.4150 118.4127 62.2561 67.2729 176.7033 *138 I 3.7405 8.8346 115.6476 61.1981 38.6447 175.9271 139 R 3.9028 7.8373 121.2977 55.7467 29.9057 177.9490 140 E 2.9544 8.3808 122.9399 58.4529 29.6893 178.5464 141 N 4.4783 7.7414 113.7602 55.1003 38.8166 175.8811 142 L 4.0937 7.2190 117.6888 56.4408 42.0531 176.9228 143 Y 4.2426 7.3551 116.3407 57.4109 38.8273 174.6994 144 V 4.4729 8.2610 123.9565 60.9556 33.5584 174.8175 145 K 3.7286 8.8025 129.8772 56.8246 32.1140 176.2990 146 I 3.9698 8.8915 130.1275 63.0441 37.2849 175.4926 147 D 4.3945 7.2976 118.3155 53.7761 44.6789 173.6876 148 T 4.4624 8.3810 118.6455 62.9411 69.7289 174.3542 149 I 4.3602 8.5482 126.5455 59.3913 39.4256 174.6613 150 A 5.1524 8.4403 126.7711 49.8956 22.4640 175.3823 151 A 4.5090 8.8029 122.1023 51.2454 19.5809 177.5049 152 D 4.4913 9.0652 120.2157 54.5397 41.4602 177.1313 153 E 3.9284 8.6316 124.4305 59.6416 30.0377 177.7497 154 S 4.4196 8.2662 115.5370 58.7478 61.9016 170.9795 155 F 4.4870 7.8399 111.7806 58.9382 37.7382 176.1686 156 T 3.8274 7.9015 118.5529 65.9159 68.4894 174.8931 *164 K 4.0546 7.6653 118.9695 56.1930 33.1750 174.4398 165 M 4.5792 8.3906 123.0335 53.9194 34.0443 176.4669 166 K 4.1388 8.4694 127.7808 54.2999 32.6608 172.4822 167 L 4.3115 8.2271 124.5572 54.3021 43.0408 175.5651 168 N 4.6949 8.7993 124.2112 52.1908 40.6003 174.1183 169 T 5.1600 8.3378 119.0025 61.8858 71.3473 173.2205 170 E 4.9682 9.5566 126.2393 54.3613 33.2654 175.2233 171 V 5.1252 8.6547 123.3439 59.9794 34.0445 175.0721 172 R 4.7070 9.0589 122.7349 54.2618 33.7207 173.9775 173 E 4.7166 8.7047 123.9176 54.3374 31.1919 174.7965 174 I 4.1511 8.6477 120.3722 59.4571 41.4071 175.5868 175 G 3.9771 8.2128 108.7469 43.3898 0.0000 171.2987 176 P 4.6855 0.0000 0.0000 62.0665 31.8487 175.9435 177 L 4.3544 7.9222 120.3307 54.0908 42.6852 177.1934 178 S 4.2377 8.7210 118.6414 60.3028 63.6459 175.3513 179 K 4.4866 7.9512 124.2996 53.6755 33.3248 181.5187 180 K 4.3403 9.2171 119.3727 59.3370 32.9753 174.3807 181 G 4.1715 7.9751 103.4318 46.6839 0.0000 171.8327 182 F 5.3476 7.8079 112.6956 56.2517 41.5549 172.6698 183 Y 4.7970 9.1584 118.0429 56.4256 40.5103 174.8185 184 L 5.2300 8.4275 122.6556 53.3309 44.3362 175.4795 185 A 4.7887 8.8685 123.5739 49.9892 23.1577 174.8751 186 F 5.1807 8.7259 118.9049 55.6404 42.4105 173.9085 187 Q 4.4250 9.2292 126.0086 54.1853 30.9230 173.4113 188 D 5.1505 9.4710 127.1885 52.6659 43.1259 176.9053 189 V 5.2939 8.3455 116.7692 60.1327 32.5729 174.4448 190 G 3.3725 7.1256 108.8018 45.9975 0.0000 173.8497 191 A 5.0502 8.9434 122.2326 49.3990 22.0102 175.6904 192 C 4.8873 8.3484 119.7191 55.0943 43.6692 171.7494 193 I 5.1513 8.7795 125.7172 58.9446 40.5610 174.6111 194 A 4.7990 8.8760 127.1129 49.9065 21.4597 175.0690 195 L 4.4709 9.3621 125.6036 56.0438 42.3627 177.2797 196 V 4.0266 8.9572 127.7368 64.6892 32.9158 176.2588 197 S 4.7375 7.8185 113.4434 56.9291 66.2826 173.1277 198 V 5.0732 9.5675 126.4787 61.2443 34.4945 174.1378 199 K 5.3307 9.3893 127.1066 54.6441 35.8585 175.2935 200 V 5.0572 9.0182 124.5644 61.3760 34.4543 173.9174 201 Y 5.4788 8.4921 124.7255 56.5340 42.3340 174.2924 202 Y 4.7806 8.6471 116.8198 57.4927 38.4730 174.9730 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 32 E 8.44 4.32 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 33 V 7.78 4.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.72 0.00 0.00 34 L 9.35 4.72 0.00 1.69 1.59 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.43 4.60 0.00 1.79 1.75 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.78 4.67 0.00 1.73 1.55 1.13 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.85 5.23 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.00 4.42 0.00 3.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.11 4.33 0.00 1.91 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.39 7.81 40 A 7.60 3.84 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 E 7.75 4.36 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 47 W 9.11 5.06 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.41 4.31 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.91 0.00 0.00 49 S 8.73 5.16 0.00 4.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 9.38 4.61 0.00 3.88 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.85 0.00 2.28 1.99 0.00 3.89 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 52 P 0.00 4.45 0.00 2.23 2.25 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 53 N 8.20 4.63 0.00 2.77 2.94 0.00 0.00 6.92 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.38 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 9.68 4.40 0.00 3.27 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.31 4.83 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 57 E 8.93 3.97 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.98 0.00 58 I 8.41 4.48 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.86 0.00 0.00 59 S 8.42 5.11 0.00 3.65 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.34 5.28 0.00 1.61 1.56 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.44 4.67 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.57 3.74 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 64 N 8.06 4.55 0.00 2.81 2.89 0.00 0.00 6.97 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.18 3.65 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.39 4.25 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 P 0.00 4.84 0.00 1.91 1.98 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 68 I 8.80 4.32 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 0.87 0.00 0.00 69 R 8.56 4.49 0.00 1.48 1.58 0.00 2.99 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 70 T 8.42 4.83 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 71 Y 8.82 5.18 0.00 3.04 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.39 5.27 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 73 V 8.08 4.43 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 0.58 0.00 0.00 74 C 7.89 5.05 0.00 2.80 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.55 4.25 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 76 V 7.33 3.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.91 0.00 0.00 77 M 8.01 4.26 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 78 E 7.36 4.68 0.00 1.78 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 79 P 0.00 4.53 0.00 2.18 2.09 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 80 N 8.49 4.20 0.00 2.92 2.97 0.00 0.00 6.96 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.76 4.20 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 82 N 8.45 5.55 0.00 2.75 2.78 0.00 0.00 7.04 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 9.38 5.16 0.00 2.59 2.82 0.00 0.00 6.86 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 W 9.49 5.02 0.00 3.39 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.60 5.13 0.00 1.02 0.54 0.53 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.76 5.04 0.00 1.83 1.88 0.00 2.64 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 87 T 8.12 3.10 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 88 N 7.93 4.86 0.00 2.92 3.33 0.00 0.00 5.90 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.75 3.87 0.00 3.15 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 6.81 4.08 0.80 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.01 0.70 0.00 0.00 91 S 7.88 3.81 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.71 4.22 0.00 1.88 2.08 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.29 7.81 93 G 7.80 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.79 4.87 0.00 2.70 2.76 0.00 0.00 6.68 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 6.90 3.69 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.53 4.15 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 97 R 7.80 4.19 0.00 1.60 1.47 0.00 3.13 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 98 I 8.18 4.47 1.50 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.76 0.00 0.00 99 F 8.92 5.02 0.00 2.07 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.82 4.74 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.95 0.00 0.00 101 E 9.88 5.13 0.00 2.41 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 102 L 9.35 5.42 0.00 1.93 1.91 1.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.36 5.73 0.00 1.77 1.73 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.28 7.81 104 F 8.28 5.55 0.00 3.33 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.89 4.89 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 106 L 8.31 5.10 0.00 2.12 1.85 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.64 4.22 0.00 1.89 1.83 0.00 3.38 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 108 D 8.79 4.68 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 9.46 4.41 0.00 2.99 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.23 4.19 0.00 2.71 2.90 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.68 4.67 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.61 4.69 0.00 1.72 1.57 0.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.29 0.00 2.17 2.05 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 114 G 8.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *117 G 8.30 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.49 4.46 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 119 C 7.88 4.69 0.00 2.95 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.71 4.71 0.00 1.82 1.72 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.55 7.81 121 E 8.65 4.88 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 122 T 7.83 5.13 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 123 F 8.59 5.18 0.00 3.47 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 9.30 5.07 0.00 2.75 2.58 0.00 0.00 6.97 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.36 5.00 0.00 1.73 1.54 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.23 5.45 0.00 2.95 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 9.23 5.67 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 9.29 4.60 0.00 2.03 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.20 4.86 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 130 T 8.70 4.45 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 131 D 8.62 4.80 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 D 7.82 4.28 0.00 1.59 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 9.42 4.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 *138 I 8.83 3.74 1.83 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.39 0.43 0.00 0.00 139 R 7.84 3.90 0.00 1.74 1.81 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 140 E 8.38 2.95 0.00 1.29 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.47 0.00 141 N 7.74 4.48 0.00 2.66 2.81 0.00 0.00 6.93 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.22 4.09 0.00 1.16 1.03 0.56 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.36 4.24 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.26 4.47 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.87 0.00 0.00 145 K 8.80 3.73 0.00 1.61 1.60 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 0.54 7.81 146 I 8.89 3.97 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.87 0.80 0.00 0.00 147 D 7.30 4.39 0.00 2.66 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.38 4.46 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 149 I 8.55 4.36 0.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.36 0.35 0.00 0.00 150 A 8.44 5.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.80 4.51 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 9.07 4.49 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.63 3.93 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 154 S 8.27 4.42 0.00 4.14 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 7.84 4.49 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.90 3.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 *164 K 7.67 4.05 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 165 M 8.39 4.58 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 166 K 8.47 4.14 0.00 1.82 1.58 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 0.99 7.81 167 L 8.23 4.31 0.00 1.59 1.54 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 168 N 8.80 4.69 0.00 1.44 2.15 0.00 0.00 6.41 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 8.34 5.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 170 E 9.56 4.97 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 171 V 8.65 5.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.16 0.00 0.00 172 R 9.06 4.71 0.00 1.68 1.74 0.00 3.21 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 173 E 8.70 4.72 0.00 1.67 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 174 I 8.65 4.15 1.21 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.09 0.50 0.00 0.00 175 G 8.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 P 0.00 4.69 0.00 2.09 1.95 0.00 3.27 0.00 0.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 177 L 7.92 4.35 0.00 1.52 1.53 0.43 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.72 4.24 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.95 4.49 0.00 1.79 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 0.99 7.81 180 K 9.22 4.34 0.00 1.44 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.27 7.81 181 G 7.98 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 7.81 5.35 0.00 3.33 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 9.16 4.80 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.43 5.23 0.00 1.35 1.15 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.87 4.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.73 5.18 0.00 2.15 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 9.23 4.43 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 188 D 9.47 5.15 0.00 2.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.35 5.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 190 G 7.13 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 8.94 5.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 C 8.35 4.89 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 I 8.78 5.15 1.50 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.78 0.00 0.00 194 A 8.88 4.80 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 9.36 4.47 0.00 1.74 1.83 0.90 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.96 4.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 197 S 7.82 4.74 0.00 3.95 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 9.57 5.07 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.24 0.00 0.00 199 K 9.39 5.33 0.00 1.95 1.92 0.00 1.88 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 200 V 9.02 5.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.08 0.00 0.00 201 Y 8.49 5.48 0.00 3.22 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 Y 8.65 4.78 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.